Content for NMR-STAR saveframe, "assigned_chemical_shifts_1"
save_assigned_chemical_shifts_1
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1
_Assigned_chem_shift_list.Entry_ID 34444
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name .
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1
_Assigned_chem_shift_list.Chem_shift_1H_err .
_Assigned_chem_shift_list.Chem_shift_13C_err .
_Assigned_chem_shift_list.Chem_shift_15N_err .
_Assigned_chem_shift_list.Chem_shift_31P_err .
_Assigned_chem_shift_list.Chem_shift_2H_err .
_Assigned_chem_shift_list.Chem_shift_19F_err .
_Assigned_chem_shift_list.Error_derivation_method .
_Assigned_chem_shift_list.Details .
_Assigned_chem_shift_list.Text_data_format .
_Assigned_chem_shift_list.Text_data .
loop_
_Chem_shift_experiment.Experiment_ID
_Chem_shift_experiment.Experiment_name
_Chem_shift_experiment.Sample_ID
_Chem_shift_experiment.Sample_label
_Chem_shift_experiment.Sample_state
_Chem_shift_experiment.Entry_ID
_Chem_shift_experiment.Assigned_chem_shift_list_ID
1 '2D 1H-1H NOESY' . . . 34444 1
2 '2D DQF-COSY' . . . 34444 1
3 '2D TOCSY' . . . 34444 1
4 '2D 1H-13C HSQC aromatic' . . . 34444 1
5 '2D 1H-1H NOESY' . . . 34444 1
6 '2D 19F-1H HOESY' . . . 34444 1
stop_
loop_
_Atom_chem_shift.ID
_Atom_chem_shift.Assembly_atom_ID
_Atom_chem_shift.Entity_assembly_ID
_Atom_chem_shift.Entity_assembly_asym_ID
_Atom_chem_shift.Entity_ID
_Atom_chem_shift.Comp_index_ID
_Atom_chem_shift.Seq_ID
_Atom_chem_shift.Comp_ID
_Atom_chem_shift.Atom_ID
_Atom_chem_shift.Atom_type
_Atom_chem_shift.Atom_isotope_number
_Atom_chem_shift.Val
_Atom_chem_shift.Val_err
_Atom_chem_shift.Assign_fig_of_merit
_Atom_chem_shift.Ambiguity_code
_Atom_chem_shift.Ambiguity_set_ID
_Atom_chem_shift.Occupancy
_Atom_chem_shift.Resonance_ID
_Atom_chem_shift.Auth_entity_assembly_ID
_Atom_chem_shift.Auth_asym_ID
_Atom_chem_shift.Auth_seq_ID
_Atom_chem_shift.Auth_comp_ID
_Atom_chem_shift.Auth_atom_ID
_Atom_chem_shift.Details
_Atom_chem_shift.Entry_ID
_Atom_chem_shift.Assigned_chem_shift_list_ID
1 . 1 . 1 1 1 DG H1 H 1 11.917 0.001 . 1 . . 1107 . A 1 DG H1 . 34444 1
2 . 1 . 1 1 1 DG H1' H 1 5.746 0.004 . 1 . . 1028 . A 1 DG H1' . 34444 1
3 . 1 . 1 1 1 DG H2' H 1 2.353 0.003 . 1 . . 1030 . A 1 DG H2' . 34444 1
4 . 1 . 1 1 1 DG H2'' H 1 2.662 0.003 . 1 . . 1029 . A 1 DG H2'' . 34444 1
5 . 1 . 1 1 1 DG H3' H 1 4.896 0.002 . 1 . . 1090 . A 1 DG H3' . 34444 1
6 . 1 . 1 1 1 DG H8 H 1 7.242 0.003 . 1 . . 1027 . A 1 DG H8 . 34444 1
7 . 1 . 1 1 1 DG C8 C 13 140.579 . . 1 . . 1112 . A 1 DG C8 . 34444 1
8 . 1 . 1 2 2 DG H1 H 1 11.741 0.002 . 1 . . 1104 . A 2 DG H1 . 34444 1
9 . 1 . 1 2 2 DG H1' H 1 5.834 0.003 . 1 . . 1032 . A 2 DG H1' . 34444 1
10 . 1 . 1 2 2 DG H2' H 1 2.395 0.003 . 1 . . 1034 . A 2 DG H2' . 34444 1
11 . 1 . 1 2 2 DG H2'' H 1 2.564 0.0 . 1 . . 1033 . A 2 DG H2'' . 34444 1
12 . 1 . 1 2 2 DG H3' H 1 4.969 0.004 . 1 . . 1091 . A 2 DG H3' . 34444 1
13 . 1 . 1 2 2 DG H8 H 1 7.517 0.001 . 1 . . 1031 . A 2 DG H8 . 34444 1
14 . 1 . 1 2 2 DG C8 C 13 137.408 . . 1 . . 1117 . A 2 DG C8 . 34444 1
15 . 1 . 1 3 3 DG H1' H 1 5.814 0.005 . 1 . . 1036 . A 3 DG H1' . 34444 1
16 . 1 . 1 3 3 DG H2' H 1 2.546 0.01 . 1 . . 1038 . A 3 DG H2' . 34444 1
17 . 1 . 1 3 3 DG H2'' H 1 2.492 0.005 . 1 . . 1037 . A 3 DG H2'' . 34444 1
18 . 1 . 1 3 3 DG H3' H 1 4.829 0.003 . 1 . . 1092 . A 3 DG H3' . 34444 1
19 . 1 . 1 3 3 DG H8 H 1 7.938 0.007 . 1 . . 1035 . A 3 DG H8 . 34444 1
20 . 1 . 1 3 3 DG C8 C 13 139.410 . . 1 . . 1121 . A 3 DG C8 . 34444 1
21 . 1 . 1 4 4 DA H1' H 1 6.078 0.002 . 1 . . 1040 . A 4 DA H1' . 34444 1
22 . 1 . 1 4 4 DA H2 H 1 7.846 0.001 . 1 . . 1045 . A 4 DA H2 . 34444 1
23 . 1 . 1 4 4 DA H2' H 1 2.405 0.013 . 1 . . 1041 . A 4 DA H2' . 34444 1
24 . 1 . 1 4 4 DA H2'' H 1 2.427 0.009 . 1 . . 1064 . A 4 DA H2'' . 34444 1
25 . 1 . 1 4 4 DA H8 H 1 8.032 0.002 . 1 . . 1039 . A 4 DA H8 . 34444 1
26 . 1 . 1 4 4 DA C8 C 13 141.810 . . 1 . . 1237 . A 4 DA C8 . 34444 1
27 . 1 . 1 5 5 DT H1' H 1 5.891 0.002 . 1 . . 1046 . A 5 DT H1' . 34444 1
28 . 1 . 1 5 5 DT H2' H 1 1.929 0.002 . 1 . . 1047 . A 5 DT H2' . 34444 1
29 . 1 . 1 5 5 DT H2'' H 1 2.320 0.006 . 1 . . 1048 . A 5 DT H2'' . 34444 1
30 . 1 . 1 5 5 DT H3' H 1 4.641 0.002 . 1 . . 1093 . A 5 DT H3' . 34444 1
31 . 1 . 1 5 5 DT H6 H 1 7.284 0.002 . 1 . . 1043 . A 5 DT H6 . 34444 1
32 . 1 . 1 5 5 DT H71 H 1 1.560 0.003 . 1 . . 1044 . A 5 DT H71 . 34444 1
33 . 1 . 1 5 5 DT H72 H 1 1.560 0.003 . 1 . . 1044 . A 5 DT H72 . 34444 1
34 . 1 . 1 5 5 DT H73 H 1 1.560 0.003 . 1 . . 1044 . A 5 DT H73 . 34444 1
35 . 1 . 1 5 5 DT C6 C 13 139.194 . . 1 . . 1114 . A 5 DT C6 . 34444 1
36 . 1 . 1 6 6 DG H1 H 1 11.654 0.005 . 1 . . 1111 . A 6 DG H1 . 34444 1
37 . 1 . 1 6 6 DG H1' H 1 5.977 0.004 . 1 . . 1050 . A 6 DG H1' . 34444 1
38 . 1 . 1 6 6 DG H2' H 1 3.430 0.0 . 1 . . 1052 . A 6 DG H2' . 34444 1
39 . 1 . 1 6 6 DG H2'' H 1 2.886 0.002 . 1 . . 1051 . A 6 DG H2'' . 34444 1
40 . 1 . 1 6 6 DG H3' H 1 4.867 0.005 . 1 . . 1094 . A 6 DG H3' . 34444 1
41 . 1 . 1 6 6 DG H8 H 1 7.296 0.002 . 1 . . 1049 . A 6 DG H8 . 34444 1
42 . 1 . 1 6 6 DG C8 C 13 142.059 . . 1 . . 1113 . A 6 DG C8 . 34444 1
43 . 1 . 1 7 7 DG H1 H 1 12.013 0.001 . 1 . . 1105 . A 7 DG H1 . 34444 1
44 . 1 . 1 7 7 DG H1' H 1 5.936 0.003 . 1 . . 1054 . A 7 DG H1' . 34444 1
45 . 1 . 1 7 7 DG H2' H 1 2.642 0.0 . 1 . . 1055 . A 7 DG H2' . 34444 1
46 . 1 . 1 7 7 DG H2'' H 1 2.838 0.004 . 1 . . 1056 . A 7 DG H2'' . 34444 1
47 . 1 . 1 7 7 DG H3' H 1 5.042 0.002 . 1 . . 1095 . A 7 DG H3' . 34444 1
48 . 1 . 1 7 7 DG H8 H 1 8.082 0.002 . 1 . . 1053 . A 7 DG H8 . 34444 1
49 . 1 . 1 7 7 DG C8 C 13 138.488 . . 1 . . 1122 . A 7 DG C8 . 34444 1
50 . 1 . 1 8 8 DG H1 H 1 11.338 0.001 . 1 . . 1106 . A 8 DG H1 . 34444 1
51 . 1 . 1 8 8 DG H1' H 1 5.946 0.004 . 1 . . 1058 . A 8 DG H1' . 34444 1
52 . 1 . 1 8 8 DG H2' H 1 2.141 0.006 . 1 . . 1060 . A 8 DG H2' . 34444 1
53 . 1 . 1 8 8 DG H2'' H 1 2.556 0.0 . 1 . . 1059 . A 8 DG H2'' . 34444 1
54 . 1 . 1 8 8 DG H3' H 1 4.909 . . 1 . . 1096 . A 8 DG H3' . 34444 1
55 . 1 . 1 8 8 DG H8 H 1 7.445 0.002 . 1 . . 1057 . A 8 DG H8 . 34444 1
56 . 1 . 1 8 8 DG C8 C 13 137.546 . . 1 . . 1116 . A 8 DG C8 . 34444 1
57 . 1 . 1 10 10 DC H1' H 1 6.121 0.002 . 1 . . 1330 . A 10 DC H1' . 34444 1
58 . 1 . 1 10 10 DC H2' H 1 2.299 0.001 . 1 . . 1331 . A 10 DC H2' . 34444 1
59 . 1 . 1 10 10 DC H3' H 1 4.960 0.002 . 1 . . 1340 . A 10 DC H3' . 34444 1
60 . 1 . 1 10 10 DC H5 H 1 6.060 0.0 . 1 . . 1232 . A 10 DC H5 . 34444 1
61 . 1 . 1 10 10 DC H6 H 1 7.730 0.002 . 1 . . 1231 . A 10 DC H6 . 34444 1
62 . 1 . 1 10 10 DC C6 C 13 143.877 . . 1 . . 1236 . A 10 DC C6 . 34444 1
63 . 1 . 1 12 12 DC H1' H 1 5.752 0.002 . 1 . . 1240 . A 12 DC H1' . 34444 1
64 . 1 . 1 12 12 DC H2' H 1 2.162 0.003 . 1 . . 1242 . A 12 DC H2' . 34444 1
65 . 1 . 1 12 12 DC H2'' H 1 1.888 0.006 . 1 . . 1241 . A 12 DC H2'' . 34444 1
66 . 1 . 1 12 12 DC H3' H 1 4.585 0.002 . 1 . . 1336 . A 12 DC H3' . 34444 1
67 . 1 . 1 12 12 DC H5 H 1 5.752 0.003 . 1 . . 1234 . A 12 DC H5 . 34444 1
68 . 1 . 1 12 12 DC H6 H 1 7.541 0.002 . 1 . . 1233 . A 12 DC H6 . 34444 1
69 . 1 . 1 12 12 DC C6 C 13 143.831 . . 1 . . 1235 . A 12 DC C6 . 34444 1
70 . 1 . 1 13 13 DA H1' H 1 5.962 0.003 . 1 . . 1062 . A 13 DA H1' . 34444 1
71 . 1 . 1 13 13 DA H2' H 1 2.423 0.005 . 2 . . 1063 . A 13 DA H2' . 34444 1
72 . 1 . 1 13 13 DA H2'' H 1 2.155 0.003 . 2 . . 1243 . A 13 DA H2'' . 34444 1
73 . 1 . 1 13 13 DA H8 H 1 7.977 0.002 . 1 . . 1061 . A 13 DA H8 . 34444 1
74 . 1 . 1 13 13 DA C8 C 13 141.645 . . 1 . . 1239 . A 13 DA C8 . 34444 1
75 . 1 . 1 14 14 GFL H1' H 1 6.211 0.001 . 1 . . 1128 . A 14 GFL H1' . 34444 1
76 . 1 . 1 14 14 GFL H2' H 1 5.863 0.001 . 1 . . 1129 . A 14 GFL H2' . 34444 1
77 . 1 . 1 14 14 GFL H3' H 1 6.257 0.0 . 1 . . 1335 . A 14 GFL H3' . 34444 1
78 . 1 . 1 14 14 GFL H8 H 1 7.302 0.0 . 1 . . 1127 . A 14 GFL H8 . 34444 1
79 . 1 . 1 14 14 GFL C8 C 13 140.991 . . 1 . . 1228 . A 14 GFL C8 . 34444 1
80 . 1 . 1 14 14 GFL F F 19 -124.314 0.005 . 1 . . 1133 . A 14 GFL F . 34444 1
81 . 1 . 1 14 14 GFL HN1 H 1 10.793 0.004 . 1 . . 1100 . A 14 GFL HN1 . 34444 1
82 . 1 . 1 15 15 GF2 H1' H 1 5.966 0.0 . 1 . . 1088 . A 15 GF2 H1' . 34444 1
83 . 1 . 1 15 15 GF2 H2' H 1 5.803 0.002 . 1 . . 1087 . A 15 GF2 H2' . 34444 1
84 . 1 . 1 15 15 GF2 H3' H 1 4.815 0.003 . 1 . . 1089 . A 15 GF2 H3' . 34444 1
85 . 1 . 1 15 15 GF2 H4' H 1 4.332 0.005 . 1 . . 1132 . A 15 GF2 H4' . 34444 1
86 . 1 . 1 15 15 GF2 H8 H 1 7.312 0.002 . 1 . . 1086 . A 15 GF2 H8 . 34444 1
87 . 1 . 1 15 15 GF2 C8 C 13 136.368 . . 1 . . 1124 . A 15 GF2 C8 . 34444 1
88 . 1 . 1 15 15 GF2 F F 19 -117.053 0.002 . 1 . . 1130 . A 15 GF2 F . 34444 1
89 . 1 . 1 15 15 GF2 HN1 H 1 11.437 0.001 . 1 . . 1108 . A 15 GF2 HN1 . 34444 1
90 . 1 . 1 16 16 DG H1 H 1 11.687 0.005 . 1 . . 1102 . A 16 DG H1 . 34444 1
91 . 1 . 1 16 16 DG H1' H 1 6.057 0.001 . 1 . . 1081 . A 16 DG H1' . 34444 1
92 . 1 . 1 16 16 DG H2' H 1 3.002 0.003 . 1 . . 1084 . A 16 DG H2' . 34444 1
93 . 1 . 1 16 16 DG H2'' H 1 2.519 0.004 . 1 . . 1085 . A 16 DG H2'' . 34444 1
94 . 1 . 1 16 16 DG H3' H 1 4.962 . . 1 . . 1337 . A 16 DG H3' . 34444 1
95 . 1 . 1 16 16 DG H8 H 1 7.626 0.001 . 1 . . 1082 . A 16 DG H8 . 34444 1
96 . 1 . 1 16 16 DG C8 C 13 138.645 . . 1 . . 1118 . A 16 DG C8 . 34444 1
97 . 1 . 1 17 17 DG H1 H 1 11.120 0.002 . 1 . . 1101 . A 17 DG H1 . 34444 1
98 . 1 . 1 17 17 DG H1' H 1 6.375 0.0 . 1 . . 1078 . A 17 DG H1' . 34444 1
99 . 1 . 1 17 17 DG H2' H 1 2.650 0.005 . 2 . . 1079 . A 17 DG H2' . 34444 1
100 . 1 . 1 17 17 DG H2'' H 1 2.650 0.005 . 2 . . 1080 . A 17 DG H2'' . 34444 1
101 . 1 . 1 17 17 DG H3' H 1 5.060 0.001 . 1 . . 1099 . A 17 DG H3' . 34444 1
102 . 1 . 1 17 17 DG H8 H 1 7.854 0.001 . 1 . . 1077 . A 17 DG H8 . 34444 1
103 . 1 . 1 17 17 DG C8 C 13 137.919 . . 1 . . 1120 . A 17 DG C8 . 34444 1
104 . 1 . 1 18 18 DA H1' H 1 6.548 0.001 . 1 . . 1226 . A 18 DA H1' . 34444 1
105 . 1 . 1 18 18 DA H2' H 1 2.994 0.004 . 1 . . 1225 . A 18 DA H2' . 34444 1
106 . 1 . 1 18 18 DA H2'' H 1 2.894 . . 1 . . 1227 . A 18 DA H2'' . 34444 1
107 . 1 . 1 18 18 DA H3' H 1 4.983 0.001 . 1 . . 1341 . A 18 DA H3' . 34444 1
108 . 1 . 1 18 18 DA H8 H 1 8.550 0.001 . 1 . . 1224 . A 18 DA H8 . 34444 1
109 . 1 . 1 18 18 DA C8 C 13 142.855 . . 1 . . 1238 . A 18 DA C8 . 34444 1
110 . 1 . 1 19 19 DC H1' H 1 6.405 0.004 . 1 . . 1229 . A 19 DC H1' . 34444 1
111 . 1 . 1 19 19 DC H2' H 1 2.497 0.001 . 1 . . 1333 . A 19 DC H2' . 34444 1
112 . 1 . 1 19 19 DC H2'' H 1 2.661 0.001 . 1 . . 1332 . A 19 DC H2'' . 34444 1
113 . 1 . 1 19 19 DC H3' H 1 4.948 0.003 . 1 . . 1339 . A 19 DC H3' . 34444 1
114 . 1 . 1 19 19 DC H5 H 1 6.090 . . 1 . . 1230 . A 19 DC H5 . 34444 1
115 . 1 . 1 19 19 DC H6 H 1 7.951 0.001 . 1 . . 1125 . A 19 DC H6 . 34444 1
116 . 1 . 1 19 19 DC C6 C 13 145.336 . . 1 . . 1126 . A 19 DC C6 . 34444 1
117 . 1 . 1 20 20 DG H1 H 1 11.920 0.001 . 1 . . 1103 . A 20 DG H1 . 34444 1
118 . 1 . 1 20 20 DG H1' H 1 6.011 0.002 . 1 . . 1066 . A 20 DG H1' . 34444 1
119 . 1 . 1 20 20 DG H2' H 1 3.085 0.001 . 1 . . 1068 . A 20 DG H2' . 34444 1
120 . 1 . 1 20 20 DG H2'' H 1 3.034 0.001 . 1 . . 1067 . A 20 DG H2'' . 34444 1
121 . 1 . 1 20 20 DG H3' H 1 4.932 0.001 . 1 . . 1097 . A 20 DG H3' . 34444 1
122 . 1 . 1 20 20 DG H8 H 1 7.378 0.003 . 1 . . 1065 . A 20 DG H8 . 34444 1
123 . 1 . 1 20 20 DG C8 C 13 142.059 . . 1 . . 1115 . A 20 DG C8 . 34444 1
124 . 1 . 1 21 21 DG H1 H 1 11.720 0.003 . 1 . . 1110 . A 21 DG H1 . 34444 1
125 . 1 . 1 21 21 DG H1' H 1 6.062 0.001 . 1 . . 1070 . A 21 DG H1' . 34444 1
126 . 1 . 1 21 21 DG H2' H 1 2.817 0.001 . 2 . . 1071 . A 21 DG H2' . 34444 1
127 . 1 . 1 21 21 DG H2'' H 1 2.857 0.002 . 2 . . 1072 . A 21 DG H2'' . 34444 1
128 . 1 . 1 21 21 DG H3' H 1 5.109 0.004 . 1 . . 1098 . A 21 DG H3' . 34444 1
129 . 1 . 1 21 21 DG H8 H 1 8.183 0.002 . 1 . . 1069 . A 21 DG H8 . 34444 1
130 . 1 . 1 21 21 DG C8 C 13 139.017 . . 1 . . 1123 . A 21 DG C8 . 34444 1
131 . 1 . 1 22 22 DG H1 H 1 11.406 0.003 . 1 . . 1109 . A 22 DG H1 . 34444 1
132 . 1 . 1 22 22 DG H1' H 1 6.442 0.003 . 1 . . 1074 . A 22 DG H1' . 34444 1
133 . 1 . 1 22 22 DG H2' H 1 2.622 0.004 . 1 . . 1076 . A 22 DG H2' . 34444 1
134 . 1 . 1 22 22 DG H2'' H 1 2.534 0.001 . 1 . . 1075 . A 22 DG H2'' . 34444 1
135 . 1 . 1 22 22 DG H3' H 1 4.740 . . 1 . . 1338 . A 22 DG H3' . 34444 1
136 . 1 . 1 22 22 DG H8 H 1 7.785 0.003 . 1 . . 1073 . A 22 DG H8 . 34444 1
137 . 1 . 1 22 22 DG C8 C 13 137.958 . . 1 . . 1119 . A 22 DG C8 . 34444 1
stop_
save_